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Open data
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Basic information
Entry | Database: PDB / ID: 1eyl | ||||||
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Title | STRUCTURE OF A RECOMBINANT WINGED BEAN CHYMOTRYPSIN INHIBITOR | ||||||
![]() | CHYMOTRYPSIN INHIBITOR | ||||||
![]() | HYDROLASE INHIBITOR / BETA TREFOIL | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Dattagupta, J.K. / Chakrabarti, C. / Ravichandran, S. / Ghosh, S. | ||||||
![]() | ![]() Title: The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp. Authors: Ravichandran, S. / Dasgupta, J. / Chakrabarti, C. / Ghosh, S. / Singh, M. / Dattagupta, J.K. #1: ![]() Title: Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 A resolution Authors: Ravichandran, S. / Sen, U. / Chakrabarti, C. / Dattagupta, J.K. #2: ![]() Title: Refined Crystal Structure (2.3 A) of a Double-Headed Winged Bean alpha-Chymotrypsin Inhibitor and Location of Its Second Reactive Site Authors: Dattagupta, J.K. / Podder, A. / Chakrabarti, C. / Sen, U. / Mukhopadhyay, D. / Dutta, S.K. / Singh, M. #3: ![]() Title: cDNA Cloning, Expression, and Rapid Purification of a Kunitz-Type Winged Bean Chymotrypsin Inhibitor Authors: Ghosh, S. / Singh, M. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 50.3 KB | Display | ![]() |
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PDB format | ![]() | 39.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 440.7 KB | Display | ![]() |
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Full document | ![]() | 442 KB | Display | |
Data in XML | ![]() | 11.3 KB | Display | |
Data in CIF | ![]() | 15.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Details | The biological assembly is a monomer constructed from chain A |
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Components
#1: Protein | Mass: 20674.332 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Organ: SEED / Plasmid: PTRC99A / Production host: ![]() ![]() | ||
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#2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.18 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 5.4 Details: ammonium sulfate, sodium acetate, pH 5.4, VAPOR DIFFUSION, temperature 277.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 17, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→25 Å / Num. all: 124633 / Num. obs: 18807 / % possible obs: 99.7 % / Observed criterion σ(F): 1.5 / Observed criterion σ(I): 1.5 / Redundancy: 6.6 % / Biso Wilson estimate: 26.8 Å2 / Rmerge(I) obs: 0.056 / Net I/σ(I): 6.7 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 6 % / Rmerge(I) obs: 0.202 / Num. unique all: 2649 / % possible all: 99.5 |
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Processing
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Refinement | Resolution: 1.9→10 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber / Details: Used maximum likelihood (MLK) target function.
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Refinement step | Cycle: LAST / Resolution: 1.9→10 Å
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Refine LS restraints |
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